Structure of PDB 3p0e Chain C Binding Site BS03

Receptor Information
>3p0e Chain C (length=291) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FVHVKNPYLDLMDEDILYHLDLGTKTHNLPAMFGDVKFVCVGGSPNRMKA
FALFMHKELGFEEAEEDIKDICAGTDRYCMYKTGPVLAISHGMGIPSISI
MLHELIKLLHHARCCDVTIIRIGTSGGIGIAPGTVVITDIAVDSFFKPRF
EQVILDNIVTRSTELDKELSEELFNCSKEIPNFPTLVGHTMCTYDFYEGQ
GRLDGALCSFSREKKLDYLKRAFKAGVRNIEMESTVFAAMCGLCGLKAAV
VCVTLLDRLDCDQINLPHDVLVEYQQRPQLLISNFIRRRLG
Ligand information
Ligand IDBAU
InChIInChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19)
InChIKeySPJAGILXQBHHSZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1C(=CN(C(=O)N1)COCCO)Cc2ccccc2
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO
CACTVS 3.341OCCOCN1C=C(Cc2ccccc2)C(=O)NC1=O
FormulaC14 H16 N2 O4
Name1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE
ChEMBLCHEMBL17432
DrugBankDB07437
ZINC
PDB chain3p0e Chain D Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3p0e A novel structural mechanism for redox regulation of uridine phosphorylase 2 activity.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Y41 H42
Binding residue
(residue number reindexed from 1)		Y18 H19
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E127 R281
Catalytic site (residue number reindexed from 1) E104 R258
Enzyme Commision number 2.4.2.3: uridine phosphorylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004850 uridine phosphorylase activity
GO:0005515 protein binding
GO:0016757 glycosyltransferase activity
GO:0016763 pentosyltransferase activity
GO:0042802 identical protein binding
GO:0047847 deoxyuridine phosphorylase activity
Biological Process
GO:0006218 uridine catabolic process
GO:0006249 dCMP catabolic process
GO:0009116 nucleoside metabolic process
GO:0009164 nucleoside catabolic process
GO:0009166 nucleotide catabolic process
GO:0044206 UMP salvage
GO:0046108 uridine metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0045098 type III intermediate filament

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3p0e, PDBe:3p0e, PDBj:3p0e
PDBsum3p0e
PubMed21855639
UniProtO95045|UPP2_HUMAN Uridine phosphorylase 2 (Gene Name=UPP2)

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